benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate

C15H21NO3 — CID 101410900

IUPACbenzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate
SMILESC=CC(C)(C)[C@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-15(2,3)13(10-17)16-14(18)19-11-12-8-6-5-7-9-12/h4-9,13,17H,1,10-11H2,2-3H3,(H,16,18)/t13-/m0/s1
InChIKeyIKZSQPXLPMJHRL-ZDUSSCGKSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds6

About benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate

benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate (PubChem CID 101410900) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate
PubChem CID101410900
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate
SMILESC=CC(C)(C)[C@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-15(2,3)13(10-17)16-14(18)19-11-12-8-6-5-7-9-12/h4-9,13,17H,1,10-11H2,2-3H3,(H,16,18)/t13-/m0/s1
InChIKeyIKZSQPXLPMJHRL-ZDUSSCGKSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 3,3-dimethyl-2-(phenylmethoxycarbonylamino)pent-4-enoate
CID 15295900
benzyl N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]carbamate
CID 59064326
benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 12968114
benzyl N-[(2R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxopent-4-en-2-yl]carbamate
CID 101433940
[(2S,5S)-1-hydroxy-6,6-dimethyl-5-(phenylmethoxycarbonylamino)heptan-2-yl]carbamic acid
CID 86339972
methyl (2R,3S)-2-methyl-3-(phenylmethoxycarbonylamino)-2-prop-2-enylhex-5-enoate
CID 101204804
methyl (2S,3S)-2-methyl-3-(phenylmethoxycarbonylamino)-2-prop-2-enylhex-5-enoate
CID 101204797
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
benzyl (2S)-2-(phenylmethoxycarbonylamino)but-3-enoate
CID 14780336
benzyl 2-(phenylmethoxycarbonylamino)but-3-enoate
CID 14780335
benzyl N-[(2S,3S)-3-methyl-1-phenyl-3-(prop-2-enylcarbamoyl)hex-5-en-2-yl]carbamate
CID 102151861

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate (CID 101410900) is benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate is C=CC(C)(C)[C@H](CO)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate?
The InChIKey is IKZSQPXLPMJHRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-15(2,3)13(10-17)16-14(18)19-11-12-8-6-5-7-9-12/h4-9,13,17H,1,10-11H2,2-3H3,(H,16,18)/t13-/m0/s1.
What are the key properties of benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate?
benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-hydroxy-3,3-dimethylpent-4-en-2-yl]carbamate is sourced from PubChem (CID 101410900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).